3UES
Crystal structure of alpha-1,3/4-fucosidase from Bifidobacterium longum subsp. infantis complexed with deoxyfuconojirimycin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-07 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.981, 120.597, 142.469 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.910 - 1.600 |
R-factor | 0.16116 |
Rwork | 0.160 |
R-free | 0.19090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mo4 |
RMSD bond length | 0.029 |
RMSD bond angle | 2.561 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 146170 | |
<I/σ(I)> | 36.2 | 4.1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 0.1M citrate buffer (pH 4.0), 20% (w/v) PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |